2-[4-azanylidene-5-(bromomethyl)-2-methyl-pyrimidin-1-yl]-1-phenyl-ethanone bromide

Systemtic Name: 2-[4-azanylidene-5-(bromomethyl)-2-methyl-pyrimidin-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-[5-(bromomethyl)-4-imino-2-methyl-pyrimidin-1-yl]-1-phenyl-ethanone bromide CAS Name: 2-[5-(bromomethyl)-4-imino-2-methyl-1-pyrimidinyl]-1-phenylethanone bromide IUPAC Name: 2-[5-(bromomethyl)-4-imino-2-methylpyrimidin-1-yl]-1-phenylethanone bromide Traditional Name: 2-[5-(bromomethyl)-4-imino-2-methyl-pyrimidin-1-yl]-1-phenyl-ethanone bromide Formula: C14H14Br2N3O- MolecularWeight: 400.08846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=N)C(=CN1CC(=O)C2=CC=CC=C2)CBr.[Br-]

Isomeric SMILES

CC1=NC(=N)C(=CN1CC(=O)C2=CC=CC=C2)CBr.[Br-]

InChI

InChI=1S/C14H14BrN3O.BrH/c1-10-17-14(16)12(7-15)8-18(10)9-13(19)11-5-3-2-4-6-11;/h2-6,8,16H,7,9H2,1H3;1H/p-1